2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide

C16H14N2O2S — CID 45479197

IUPAC2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1sc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2S/c1-11(15(19)17-12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)21-18/h2-11H,1H3,(H,17,19)
InChIKeyYZMZZSLNFZLMAJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.26
Rot. Bonds3

About 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide

2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide (PubChem CID 45479197) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide
PubChem CID45479197
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1sc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2S/c1-11(15(19)17-12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)21-18/h2-11H,1H3,(H,17,19)
InChIKeyYZMZZSLNFZLMAJ-UHFFFAOYSA-N
XLogP3.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide?
The IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide (CID 45479197) is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)n1sc2ccccc2c1=O.
What is the InChIKey of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide?
The InChIKey is YZMZZSLNFZLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11(15(19)17-12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)21-18/h2-11H,1H3,(H,17,19).
What are the key properties of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide?
2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide has a molecular weight of 298.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 45479197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).